Peter Eastman c6f9fab280 More barostats support scaling particles independently (#5278) ...

* More barostats support scaling particles independently

* Documentation update

* MonteCarloMembraneBarostat can scale particles independently

2026-05-26 07:37:26 -07:00

..

CMakeLists.txt

CPU: Added support for AVX2.

2020-06-09 10:27:48 +01:00

conp_bond_indices.dat

Add constant potential method (#4870)

2025-09-12 13:55:50 -07:00

conp_positions.dat

Add constant potential method (#4870)

2025-09-12 13:55:50 -07:00

conp_ref_charges_tf.dat

Add constant potential method (#4870)

2025-09-12 13:55:50 -07:00

conp_ref_charges.dat

Add constant potential method (#4870)

2025-09-12 13:55:50 -07:00

nacl_amorph.dat

Continuing to refactor tests

2015-09-23 11:37:06 -07:00

nacl_crystal.dat

Continuing to refactor tests

2015-09-23 11:37:06 -07:00

TestAndersenThermostat.h

Update file headers (#5074)

2025-09-23 10:27:26 -07:00

TestATMForce.h

Update file headers (#5074)

2025-09-23 10:27:26 -07:00

TestBrownianIntegrator.h

Update file headers (#5074)

2025-09-23 10:27:26 -07:00

TestCheckpoints.h

Update file headers (#5074)

2025-09-23 10:27:26 -07:00

TestCMAPTorsionForce.h

Update file headers (#5074)

2025-09-23 10:27:26 -07:00

TestCMMotionRemover.h

Update file headers (#5074)

2025-09-23 10:27:26 -07:00

TestCompoundIntegrator.h

Update file headers (#5074)

2025-09-23 10:27:26 -07:00

TestConstantPotentialForce.h

Fix issue with constant potential and large neighbor lists (#5109)

2025-10-21 14:40:57 -07:00

TestCustomAngleForce.h

Update file headers (#5074)

2025-09-23 10:27:26 -07:00

TestCustomBondForce.h

Update file headers (#5074)

2025-09-23 10:27:26 -07:00

TestCustomCentroidBondForce.h

Code cleanup (#5127)

2025-11-06 12:04:52 -08:00

TestCustomCompoundBondForce.h

Code cleanup (#5127)

2025-11-06 12:04:52 -08:00

TestCustomCPPForce.h

Update file headers (#5074)

2025-09-23 10:27:26 -07:00

TestCustomCVForce.h

Update file headers (#5074)

2025-09-23 10:27:26 -07:00

TestCustomExternalForce.h

Update file headers (#5074)

2025-09-23 10:27:26 -07:00

TestCustomGBForce.h

Update file headers (#5074)

2025-09-23 10:27:26 -07:00

TestCustomHbondForce.h

Update file headers (#5074)

2025-09-23 10:27:26 -07:00

TestCustomIntegrator.h

Code cleanup (#5127)

2025-11-06 12:04:52 -08:00

TestCustomManyParticleForce.h

Code cleanup (#5127)

2025-11-06 12:04:52 -08:00

TestCustomNonbondedForce.h

Cache coefficients for long range correction (#5239)

2026-03-27 08:54:42 -07:00

TestCustomTorsionForce.h

Update file headers (#5074)

2025-09-23 10:27:26 -07:00

TestCustomVolumeForce.cpp

Update file headers (#5074)

2025-09-23 10:27:26 -07:00

TestDispersionPME.h

Update file headers (#5074)

2025-09-23 10:27:26 -07:00

TestDPDIntegrator.h

Update file headers (#5074)

2025-09-23 10:27:26 -07:00

TestEnforcePeriodicBox.cpp

Update file headers (#5074)

2025-09-23 10:27:26 -07:00

TestEwald.h

Update file headers (#5074)

2025-09-23 10:27:26 -07:00

TestFindExclusions.cpp

Update file headers (#5074)

2025-09-23 10:27:26 -07:00

TestFindMolecules.cpp

Update file headers (#5074)

2025-09-23 10:27:26 -07:00

TestGayBerneForce.h

Update file headers (#5074)

2025-09-23 10:27:26 -07:00

TestGBSAOBCForce.h

Update file headers (#5074)

2025-09-23 10:27:26 -07:00

TestHarmonicAngleForce.h

Update file headers (#5074)

2025-09-23 10:27:26 -07:00

TestHarmonicBondForce.h

Update file headers (#5074)

2025-09-23 10:27:26 -07:00

TestLangevinIntegrator.h

Update file headers (#5074)

2025-09-23 10:27:26 -07:00

TestLangevinMiddleIntegrator.h

Update file headers (#5074)

2025-09-23 10:27:26 -07:00

TestLCPOForce.h

Add LCPO method (#5130)

2025-12-11 13:28:36 -08:00

TestLocalEnergyMinimizer.h

GPU implementation of L-BFGS (#5198)

2026-02-10 09:22:10 -08:00

TestMonteCarloAnisotropicBarostat.h

More barostats support scaling particles independently (#5278)

2026-05-26 07:37:26 -07:00

TestMonteCarloBarostat.h

More barostats support scaling particles independently (#5278)

2026-05-26 07:37:26 -07:00

TestMonteCarloFlexibleBarostat.h

Fixed pressure calculation in MOnteCarloFlexibleBarostat (#5251)

2026-04-02 15:03:25 -07:00

TestMultipleForces.h

Update file headers (#5074)

2025-09-23 10:27:26 -07:00

TestNonbondedForce.h

Code cleanup (#5127)

2025-11-06 12:04:52 -08:00

TestNoseHooverIntegrator.h

Update file headers (#5074)

2025-09-23 10:27:26 -07:00

TestOrientationRestraintForce.h

Update file headers (#5074)

2025-09-23 10:27:26 -07:00

TestParser.cpp

Vectorize custom expressions on CPU (#3552)

2022-04-10 13:51:38 -07:00

TestPeriodicTorsionForce.h

Update file headers (#5074)

2025-09-23 10:27:26 -07:00

TestPythonForce.h

PythonForce can be restricted to a subset of particles (#5246)

2026-04-06 14:11:45 -07:00

TestQTBIntegrator.h

Update file headers (#5074)

2025-09-23 10:27:26 -07:00

TestRBTorsionForce.h

Update file headers (#5074)

2025-09-23 10:27:26 -07:00

TestRGForce.h

Update file headers (#5074)

2025-09-23 10:27:26 -07:00

TestRMSDForce.h

Update file headers (#5074)

2025-09-23 10:27:26 -07:00

TestSettle.h

Update file headers (#5074)

2025-09-23 10:27:26 -07:00

TestSplineFitter.cpp

Update file headers (#5074)

2025-09-23 10:27:26 -07:00

TestSystem.cpp

Update file headers (#5074)

2025-09-23 10:27:26 -07:00

TestVariableLangevinIntegrator.h

Update file headers (#5074)

2025-09-23 10:27:26 -07:00

TestVariableVerletIntegrator.h

Update file headers (#5074)

2025-09-23 10:27:26 -07:00

TestVectorExpression.cpp

Update file headers (#5074)

2025-09-23 10:27:26 -07:00

TestVectorize.cpp

Update file headers (#5074)

2025-09-23 10:27:26 -07:00

TestVectorizeAvx2.cpp

Update file headers (#5074)

2025-09-23 10:27:26 -07:00

TestVectorizeAvx.cpp

Update file headers (#5074)

2025-09-23 10:27:26 -07:00

TestVectorizeGeneric.h

Update file headers (#5074)

2025-09-23 10:27:26 -07:00

TestVerletIntegrator.h

Update file headers (#5074)

2025-09-23 10:27:26 -07:00

TestVirtualSites.h

Update file headers (#5074)

2025-09-23 10:27:26 -07:00